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N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-1,2,5-thiadiazole-3-carboxamide

ChemBase ID: 320868
Molecular Formular: C19H21N5O2S
Molecular Mass: 383.46734
Monoisotopic Mass: 383.14159594
SMILES and InChIs

SMILES:
c12c(n(nc2)c2ccc(cc2)OC)CC(CC1NC(=O)c1nsnc1)(C)C
Canonical SMILES:
COc1ccc(cc1)n1ncc2c1CC(C)(C)CC2NC(=O)c1nsnc1
InChI:
InChI=1S/C19H21N5O2S/c1-19(2)8-15(22-18(25)16-11-21-27-23-16)14-10-20-24(17(14)9-19)12-4-6-13(26-3)7-5-12/h4-7,10-11,15H,8-9H2,1-3H3,(H,22,25)
InChIKey:
VNDFXULAHGLLOY-UHFFFAOYSA-N

Cite this record

CBID:320868 http://www.chembase.cn/molecule-320868.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-1,2,5-thiadiazole-3-carboxamide
IUPAC Traditional name
N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-1,2,5-thiadiazole-3-carboxamide
Synonyms
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-1,2,5-thiadiazole-3-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11065631 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 11.578031  H Acceptors
H Donor LogD (pH = 5.5) 2.808361 
LogD (pH = 7.4) 2.808411  Log P 2.8084373 
Molar Refractivity 105.1118 cm3 Polarizability 39.566032 Å3
Polar Surface Area 81.93 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.61  LOG S -5.38 
Polar Surface Area 81.93 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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